NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 G 3.8454 8.3501 109.7381 45.5465 0.0000 173.2551 13 A 4.0931 8.3252 123.2150 50.3940 19.3737 175.7508 14 R 4.0789 9.1118 121.5265 56.1367 31.6907 174.2867 15 Q 4.6682 8.4151 123.4470 54.2553 31.4892 174.5015 16 H 4.7455 8.5554 117.8734 53.9931 31.4167 173.7816 17 V 3.8711 8.2182 124.8791 61.9132 31.6444 174.5031 18 F 4.8876 8.5639 126.1054 55.9514 41.6100 176.2539 19 L 4.6976 8.4586 120.6366 52.9628 42.2233 175.7468 20 V 4.2723 8.0968 123.9608 62.0065 33.3496 176.2361 21 S 4.2524 8.4264 124.3724 58.5167 62.9252 176.5351 22 E 4.1118 8.9375 119.7943 58.7165 29.1907 177.8071 23 Y 4.7379 7.9442 114.5138 58.6001 38.4326 176.7451 24 L 3.8943 7.1863 119.5574 55.7891 42.1024 177.8855 25 K 4.0748 7.6240 119.4187 58.6373 32.4308 176.8868 26 D 4.6702 7.3527 117.2760 52.5582 40.3852 176.1346 27 A 4.3896 8.4882 125.4970 54.0898 19.6154 179.7800 28 S 4.3475 7.9698 114.8740 58.6005 61.7813 180.0197 *35 L 4.4568 7.9204 124.7633 56.5129 42.3412 179.3193 36 M 4.9372 9.1074 121.3911 53.0120 36.2074 173.0137 37 F 5.2302 9.1162 122.6587 56.4079 40.8193 176.3564 38 V 4.5960 9.4095 125.1869 60.2585 36.0971 172.5490 39 K 4.6991 9.0216 129.9498 54.4182 31.0931 175.7641 40 L 4.6701 8.6365 128.3772 52.0240 42.8719 176.4770 41 V 3.7346 8.3741 119.3462 60.4928 31.8675 174.8840 42 N 4.7029 8.7913 124.1187 52.0503 39.3833 172.9019 43 P 4.4453 0.0000 0.0000 65.7389 31.8284 177.2205 44 C 4.1188 8.1070 117.0299 61.6140 31.6684 173.4772 *50 I 4.2223 7.4306 118.9437 61.1090 39.1153 174.0232 51 Y 5.1997 9.2771 126.0332 56.2834 42.6996 173.7145 52 L 4.7621 9.2855 127.7522 54.1869 44.3185 175.7834 *53 F 5.3634 9.3054 125.9689 55.6707 42.1699 170.9067 54 N 4.9910 9.2033 120.7870 52.1944 39.8528 175.7806 55 M 4.2240 8.7663 123.9221 57.9603 33.7220 178.1929 56 C 4.3090 8.2896 116.4463 60.6898 28.3108 176.6972 57 L 4.4105 8.0703 120.3769 54.1639 41.6421 178.2565 58 Q 3.6398 8.1961 117.6490 55.0794 24.4908 177.2864 59 Q 4.6421 7.7420 123.5201 54.6318 33.1621 173.2480 60 L 4.8415 8.0944 123.7091 52.9774 43.5956 175.2300 61 F 5.5394 9.5318 122.4275 54.8232 42.5894 174.2768 62 E 5.0813 9.3419 120.3367 55.2074 32.3275 174.6475 63 V 4.9023 7.5503 120.4178 61.2688 33.7743 175.1192 64 K 4.6840 8.6682 125.4966 54.6838 35.8565 175.1135 65 V 4.6834 8.5586 124.7281 61.1318 33.8430 174.8156 66 F 4.7558 9.3365 133.6814 57.8578 40.0896 175.2813 67 K 4.1881 8.3613 130.6014 53.3562 33.3866 172.0291 68 E 4.3383 7.8355 128.9790 53.1892 31.6975 176.5185 69 K 3.7492 8.3930 127.1371 56.0019 32.0470 173.4932 70 H 4.0374 8.7868 124.0278 54.9948 25.2620 173.0610 71 H 4.7714 7.7092 117.6775 54.6721 33.3725 172.4410 72 S 4.7831 7.9887 114.8566 57.0841 65.6588 174.0454 73 W 4.6139 9.3091 123.3101 56.2503 30.7524 175.3993 74 F 5.9853 8.7350 119.5968 56.0359 38.4894 173.6455 75 I 3.9170 8.8069 120.7012 61.2089 37.5951 177.7506 76 N 4.2295 8.9549 123.3367 53.8638 38.3312 174.5964 77 Q 4.6653 8.2635 120.0718 54.9624 31.1537 175.4320 78 S 4.7028 8.4038 110.7920 57.0721 66.3655 173.3250 79 V 5.0046 8.2880 121.9534 60.5209 33.6602 175.3687 80 Q 4.5100 8.9674 124.1851 54.2574 31.4548 174.3778 81 S 4.3379 8.6694 121.3315 59.3071 63.6399 173.2815 82 G 4.1847 8.7790 113.0511 46.1756 0.0000 175.4694 83 G 3.3934 7.8124 105.2803 45.8302 0.0000 173.5256 84 L 4.9351 8.0831 118.1109 53.0820 43.1765 177.2439 85 L 4.6667 8.6697 125.5114 53.6592 44.6228 174.5759 86 H 4.9338 8.6478 124.6908 54.6791 30.1913 174.5426 87 F 5.1015 8.8822 120.1071 55.8047 42.3115 174.6532 88 A 5.0486 8.7915 126.9419 50.7428 17.6448 175.2651 89 T 4.6732 8.4010 110.3109 59.2795 71.4041 173.7117 90 P 5.0000 0.0000 0.0000 62.9531 32.5015 175.7142 91 V 4.4793 8.0914 120.4412 61.3403 35.1117 174.2848 92 D 4.6763 8.8466 126.9497 52.9543 41.4728 175.1111 93 P 4.3702 0.0000 0.0000 65.0006 31.0459 177.9951 94 L 3.8205 7.6380 118.0359 57.7721 42.1891 178.4973 95 F 4.5493 8.4414 119.7874 60.6879 38.9046 178.6194 96 L 4.1662 8.0459 122.9418 60.0747 40.9693 181.3028 97 L 4.3228 8.3020 122.7479 57.7315 40.8741 180.5136 98 L 4.0880 7.4867 118.7941 59.0999 41.7749 178.5009 99 H 4.3779 8.3245 116.2249 59.2405 28.4840 177.3994 *100 Y 4.1080 7.3907 125.2060 61.2965 35.6672 182.1375 101 L 4.9720 7.6895 121.6743 56.8657 42.9094 182.5583 102 I 4.3959 7.8054 122.7084 66.5179 35.2556 184.2210 103 K 4.3464 8.0351 123.4657 59.6175 31.6237 180.7120 104 A 4.2228 7.5279 123.7410 53.9175 18.6640 179.3923 105 D 4.8837 8.0182 116.9702 54.1673 39.6593 178.3155 106 K 4.5162 7.7590 115.5599 54.2075 33.2732 178.3310 *123 P 4.5009 0.0000 0.0000 63.5162 32.6755 177.2213 124 N 4.8557 7.7426 114.5428 52.2125 39.1947 176.7278 125 C 4.2951 8.1481 124.3699 62.9645 32.4518 176.5118 126 I 3.7756 8.0681 119.9236 63.4917 35.1425 182.4624 127 L 4.2471 7.3667 122.9261 56.9967 41.0960 180.8065 128 L 4.1487 7.5584 118.5632 58.1296 41.0812 183.6458 129 L 4.1954 7.9609 120.5057 57.2124 41.3335 180.9553 130 K 4.4634 7.1601 121.1919 54.1975 28.9354 177.3862 131 L 4.8493 7.4527 122.6874 51.5041 46.0866 174.7143 132 P 4.2509 0.0000 0.0000 64.1248 31.7037 176.3008 133 G 3.7393 8.9205 111.7132 47.9024 0.0000 176.1040 134 L 4.2226 8.0168 126.8750 58.8966 41.5978 180.8255 135 E 4.2140 8.0247 118.7822 60.9563 29.5218 181.5111 136 K 4.3449 8.0702 120.8192 60.1494 32.8676 179.4394 137 L 4.1944 7.0655 120.0379 59.0013 41.0387 182.6125 138 L 4.2608 8.2506 121.6249 58.2851 41.7025 179.2568 *139 H 4.5517 7.5929 115.7815 54.7524 27.2397 178.7705 140 H 4.6069 7.8881 116.9901 57.1631 32.0147 174.8474 141 V 3.9251 7.5195 119.1759 65.1095 33.5583 175.9030 142 T 4.7048 6.7673 113.9170 61.1281 66.9706 178.5412 *154 K 4.4340 8.8472 120.3570 55.6961 33.5220 174.8882 155 Y 4.6066 6.9925 116.6117 55.6859 39.1806 174.3183 156 Y 4.6987 8.6420 122.5763 56.6737 41.3224 175.5692 157 K 4.6780 8.7112 127.5132 53.2208 35.5114 173.0988 *158 Y 4.3114 8.4873 122.4192 55.6074 37.3513 173.0888 159 S 4.7924 8.4135 120.0390 55.8814 65.9989 175.9447 160 K 4.0067 8.7635 130.2152 60.1070 31.6462 178.2306 161 E 4.2202 8.0978 118.8017 61.0393 29.6635 181.5931 162 K 4.3615 7.9784 118.7170 59.5716 32.2741 179.5383 163 T 4.1092 7.6981 118.3268 67.2416 67.8487 177.4693 164 L 4.1948 8.4692 126.9857 59.9320 41.0462 182.1669 165 K 4.3600 7.9012 122.6033 59.3639 31.4013 181.9284 166 W 4.5753 8.5159 131.9030 61.0480 30.2402 178.8888 167 L 3.7415 8.4674 124.8184 59.7075 39.8697 181.6488 168 E 4.4022 8.0972 119.1385 61.3204 29.7434 183.2842 169 K 4.0770 7.5739 121.4313 59.8828 31.8084 184.0323 170 K 4.1188 7.4383 117.9498 59.1714 31.7903 179.6960 171 V 3.5635 7.3865 117.5288 66.0851 31.2811 177.7919 172 N 4.4700 7.5212 114.3505 55.5758 37.1908 176.7487 173 Q 4.1365 7.8564 121.3267 58.7006 29.2234 177.5703 174 T 4.2723 8.3225 113.1576 64.6865 69.2092 177.9812 175 V 3.6777 7.6925 122.0555 65.5865 31.5106 182.6998 176 A 4.1979 7.8844 119.2484 55.0612 18.3859 179.4153 177 A 3.9990 7.6364 120.0464 55.7903 18.5340 180.3643 178 L 4.2281 8.2360 122.9088 59.2510 40.7785 182.0804 179 K 4.4287 7.3034 122.2877 59.5088 32.2482 184.5245 180 T 4.4200 7.8440 115.6560 66.7650 68.8679 181.1417 181 N 4.9082 8.5736 122.6934 54.1275 38.9635 176.6200 182 N 4.3992 8.0171 117.6584 54.1763 34.1153 178.2056 183 V 4.1625 8.3758 121.5252 59.4559 33.1883 177.0869 184 N 4.4105 8.5966 125.2455 50.7950 36.7020 171.9463 *206 E 4.2808 8.3622 122.5516 55.4834 30.0420 175.2551 207 D 4.5306 8.3380 117.6265 55.4924 40.4293 179.1432 208 Y 4.4174 8.1162 117.8568 62.0420 37.6036 178.4076 209 I 3.8611 7.5682 123.6361 66.3552 35.5199 183.2282 210 R 4.2537 7.9876 121.7334 60.9528 29.1462 180.1903 211 Y 4.0817 7.4501 116.4155 60.9085 39.3174 177.6502 212 A 4.2333 8.9740 122.0254 55.1262 18.4342 179.1705 213 H 4.3369 8.1984 117.4684 59.3755 29.7879 177.7238 214 G 3.5487 7.8923 106.0369 47.0761 0.0000 175.3867 215 L 4.0780 7.3959 120.4367 57.7403 41.7893 179.0977 216 I 3.6360 7.6015 118.7211 63.2778 37.0286 178.0898 217 S 4.2329 7.3780 114.0305 60.7598 62.8645 175.2009 218 D 4.7385 7.5213 122.7014 55.4460 40.9771 176.7279 *219 Y 4.6636 7.6165 116.3624 56.1556 38.7372 180.6140 220 I 4.7908 7.4126 118.4157 59.1312 41.0685 173.3339 221 P 4.6056 0.0000 0.0000 65.2896 31.7408 178.5308 222 K 4.2567 8.1212 124.9286 58.6133 31.6915 184.3033 223 E 4.4040 8.2991 120.4858 62.4268 29.4148 184.9657 224 L 4.3415 7.5046 122.8085 60.3767 41.0537 184.0762 225 S 4.7023 8.0846 119.2393 62.1465 62.5169 177.2576 226 D 4.8249 7.6057 123.1899 53.8602 39.9721 181.3485 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 12 G 8.35 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.33 4.09 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 9.11 4.08 0.00 1.76 1.82 0.00 3.19 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.58 0.00 15 Q 8.42 4.67 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.46 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 16 H 8.56 4.75 0.00 3.19 3.23 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.22 3.87 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 -0.04 0.00 0.00 18 F 8.56 4.89 0.00 2.84 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.46 4.70 0.00 1.48 1.57 0.74 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.10 4.27 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.92 0.00 0.00 21 S 8.43 4.25 0.00 3.69 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.94 4.11 0.00 1.88 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.88 0.00 23 Y 7.94 4.74 0.00 3.19 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.19 3.89 0.00 1.58 1.56 0.73 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.62 4.07 0.00 1.84 1.83 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.35 7.81 26 D 7.35 4.67 0.00 3.03 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.49 4.39 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.97 4.35 0.00 3.64 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *35 L 7.92 4.46 0.00 1.45 1.53 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 36 M 9.11 4.94 0.00 1.58 1.87 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 37 F 9.12 5.23 0.00 2.86 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 9.41 4.60 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.93 0.00 0.00 39 K 9.02 4.70 0.00 1.53 1.67 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.30 1.00 7.81 40 L 8.64 4.67 0.00 1.65 1.46 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.37 3.73 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.93 0.00 0.00 42 N 8.79 4.70 0.00 2.76 2.82 0.00 0.00 7.21 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.45 0.00 2.39 2.34 0.00 3.87 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 44 C 8.11 4.12 0.00 3.05 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *50 I 7.43 4.22 1.90 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.27 0.91 0.00 0.00 51 Y 9.28 5.20 0.00 2.99 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 9.29 4.76 0.00 1.27 1.52 -0.07 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 *53 F 9.31 5.36 0.00 1.91 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 9.20 4.99 0.00 2.93 2.84 0.00 0.00 6.67 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 M 8.77 4.22 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 56 C 8.29 4.31 0.00 2.73 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.07 4.41 0.00 1.65 1.60 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.20 3.64 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.64 0.00 0.00 0.00 0.00 0.00 2.18 1.86 0.00 59 Q 7.74 4.64 0.00 1.69 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.86 0.00 0.00 0.00 0.00 0.00 2.27 1.92 0.00 60 L 8.09 4.84 0.00 1.31 1.55 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 61 F 9.53 5.54 0.00 2.94 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 9.34 5.08 0.00 2.10 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.32 0.00 63 V 7.55 4.90 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.20 0.00 0.00 64 K 8.67 4.68 0.00 1.80 1.71 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.48 7.81 65 V 8.56 4.68 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.95 0.00 0.00 66 F 9.34 4.76 0.00 3.39 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.36 4.19 0.00 1.54 1.58 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.25 0.96 7.81 68 E 7.84 4.34 0.00 1.16 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 69 K 8.39 3.75 0.00 1.81 1.61 0.00 1.99 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.04 7.81 70 H 8.79 4.04 0.00 3.18 3.28 0.00 5.90 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 7.71 4.77 0.00 2.85 2.85 0.00 5.64 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 7.99 4.78 0.00 3.70 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 W 9.31 4.61 0.00 3.30 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.74 5.99 0.00 2.93 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.81 3.92 1.92 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.81 0.89 0.00 0.00 76 N 8.95 4.23 0.00 2.82 2.66 0.00 0.00 6.94 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.26 4.67 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.69 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 78 S 8.40 4.70 0.00 4.01 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.29 5.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.05 0.00 0.00 80 Q 8.97 4.51 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 81 S 8.67 4.34 0.00 3.89 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.78 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 7.81 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.08 4.94 0.00 1.58 1.49 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.67 4.67 0.00 2.10 1.69 0.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 86 H 8.65 4.93 0.00 1.40 1.78 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 F 8.88 5.10 0.00 2.88 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.79 5.05 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.40 4.67 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 90 P 0.00 5.00 0.00 2.05 2.13 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.44 0.00 91 V 8.09 4.48 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.01 0.00 0.00 92 D 8.85 4.68 0.00 2.97 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.37 0.00 2.14 2.04 0.00 3.67 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 94 L 7.64 3.82 0.00 1.80 1.35 0.61 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 95 F 8.44 4.55 0.00 3.16 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.05 4.17 0.00 1.74 1.58 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.30 4.32 0.00 1.61 1.69 0.92 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.49 4.09 0.00 2.05 1.72 0.85 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 99 H 8.32 4.38 0.00 3.32 3.46 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *100 Y 7.39 4.11 0.00 2.43 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.69 4.97 0.00 1.60 1.63 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.81 4.40 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.54 0.91 0.00 0.00 103 K 8.04 4.35 0.00 1.85 1.76 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.08 7.81 104 A 7.53 4.22 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 8.02 4.88 0.00 2.97 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 K 7.76 4.52 0.00 1.72 1.67 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.23 0.95 7.81 *123 P 0.00 4.50 0.00 2.22 2.25 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.03 0.00 124 N 7.74 4.86 0.00 2.81 2.87 0.00 0.00 6.58 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 C 8.15 4.30 0.00 2.98 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 8.07 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 179 K 7.30 4.43 0.00 1.97 1.74 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.31 7.81 180 T 7.84 4.42 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 181 N 8.57 4.91 0.00 2.79 2.75 0.00 0.00 7.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 N 8.02 4.40 0.00 2.88 2.72 0.00 0.00 6.52 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 V 8.38 4.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.93 0.00 0.00 184 N 8.60 4.41 0.00 2.73 2.69 0.00 0.00 6.70 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *206 E 8.36 4.28 0.00 1.91 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.88 0.00 207 D 8.34 4.53 0.00 2.60 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 Y 8.12 4.42 0.00 2.99 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 I 7.57 3.86 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 0.91 0.00 0.00 210 R 7.99 4.25 0.00 1.81 1.96 0.00 3.22 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.25 0.00 211 Y 7.45 4.08 0.00 2.89 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 A 8.97 4.23 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 H 8.20 4.34 0.00 3.24 3.54 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 214 G 7.89 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 L 7.40 4.08 0.00 1.90 1.66 1.02 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 216 I 7.60 3.64 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.86 1.01 0.00 0.00 217 S 7.38 4.23 0.00 4.11 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 D 7.52 4.74 0.00 2.61 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *219 Y 7.62 4.66 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 I 7.41 4.79 2.15 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.15 1.07 0.00 0.00 221 P 0.00 4.61 0.00 2.34 2.32 0.00 3.83 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 222 K 8.12 4.26 0.00 1.79 1.84 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.07 7.81 223 E 8.30 4.40 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.94 0.00 224 L 7.50 4.34 0.00 1.84 1.62 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 225 S 8.08 4.70 0.00 3.72 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 226 D 7.61 4.82 0.00 2.62 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.